2-[(5-chloro-3-pyridinyl)oxy]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide

C14H13ClN4O — CID 64601771

IUPAC2-[(5-chloro-3-pyridinyl)oxy]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1cc2c(nc1Oc1cncc(Cl)c1)CCC2
InChIInChI=1S/C14H13ClN4O/c15-9-5-10(7-18-6-9)20-14-11(13(16)17)4-8-2-1-3-12(8)19-14/h4-7H,1-3H2,(H3,16,17)
InChIKeyWAAPDNZDWGCMCO-UHFFFAOYSA-N
MW288.74 g/mol
LogP2.70
Rot. Bonds3

About 2-[(5-chloro-3-pyridinyl)oxy]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide

2-[(5-chloro-3-pyridinyl)oxy]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide (PubChem CID 64601771) has the molecular formula C14H13ClN4O and a molecular weight of 288.74 g/mol. Its IUPAC name is 2-[(5-chloro-3-pyridinyl)oxy]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide.

Molecular Properties

Compound Name2-[(5-chloro-3-pyridinyl)oxy]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide
PubChem CID64601771
Molecular FormulaC14H13ClN4O
Molecular Weight288.74 g/mol
Exact Mass288.08
IUPAC Name2-[(5-chloro-3-pyridinyl)oxy]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1cc2c(nc1Oc1cncc(Cl)c1)CCC2
InChIInChI=1S/C14H13ClN4O/c15-9-5-10(7-18-6-9)20-14-11(13(16)17)4-8-2-1-3-12(8)19-14/h4-7H,1-3H2,(H3,16,17)
InChIKeyWAAPDNZDWGCMCO-UHFFFAOYSA-N
XLogP2.70
TPSA84.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.74
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-3-pyridinyl)oxy]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide?
The IUPAC name of 2-[(5-chloro-3-pyridinyl)oxy]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide (CID 64601771) is 2-[(5-chloro-3-pyridinyl)oxy]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide.
What is the SMILES notation for 2-[(5-chloro-3-pyridinyl)oxy]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide?
The canonical SMILES for 2-[(5-chloro-3-pyridinyl)oxy]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide is [H]/N=C(\N)c1cc2c(nc1Oc1cncc(Cl)c1)CCC2.
What is the InChIKey of 2-[(5-chloro-3-pyridinyl)oxy]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide?
The InChIKey is WAAPDNZDWGCMCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN4O/c15-9-5-10(7-18-6-9)20-14-11(13(16)17)4-8-2-1-3-12(8)19-14/h4-7H,1-3H2,(H3,16,17).
What are the key properties of 2-[(5-chloro-3-pyridinyl)oxy]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide?
2-[(5-chloro-3-pyridinyl)oxy]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide has a molecular weight of 288.74 g/mol, XLogP of 2.70, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-3-pyridinyl)oxy]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide is sourced from PubChem (CID 64601771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).